TY  - JOUR
AU  - Grubišić, Sonja
AU  - Milčić, Miloš K.
AU  - Radanović, Dušanka D.
AU  - Niketić, S.R.
PY  - 2006
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/75
AB  - Conformational analysis of the three possible geometrical isomers: trans(O5), trans(O5O6) and trans(O6) of the sexidentate [Rh(1,3-pddadp)]- complex, and of the 10 possible isomers: four cis-equatorial, four cis-polar and two trans-equatorial of the quinquedentate [Rh(1,3-pddadp)Cl]2- complex was performed using the consistent force field (CFF) method, with the parameters developed previously for edta-type complexes of chromium(III) and supplemented with new parameters for rhodium(III). The force field is of maximally diagonal type. The energy-minimized structure of the cis-polar,trans(Cl,O5) isomer, having the same absolute configuration at the nitrogen atoms and 5-6-6 ring system in the G plane, represents the global minimum for the quinquedentate [Rh(1,3-pddadp)Cl]2- species. In the case of sexidentate [Rh(1,3-pddadp)]- complex the lowest energy conformer corresponds to the trans(O5O6) configuration. CFF calculations reproduced very well all crystallographically characterized structures: trans(O5)-[Rh(1,3-pddadp)]-, trans(O5O6)-[Rh(1,3-pddadp)]- and cis-polar,trans(Cl,O5)-[Rh(1,3-pddadp)Cl]2-. Comparison of the present molecular mechanics results with those for the analogous complexes revealed some general patterns for the conformational preferences of edta-type complexes. © 2006 Elsevier B.V. All rights reserved.
T2  - Journal of Molecular Structure
T1  - Conformational analysis of edta-type rhodium(III) complexes with mixed five- and six-membered chelate rings. Structural analysis of conformational flexibility in rhodium(III) complexes containing 1,3-propanediamine-N,N′-diacetate-N,N′-di-3-propionate liga
VL  - 794
IS  - 1-3
SP  - 125
EP  - 132
DO  - 10.1016/j.molstruc.2006.01.044
ER  - 

@article{
author = "Grubišić, Sonja and Milčić, Miloš K. and Radanović, Dušanka D. and Niketić, S.R.",
year = "2006",
abstract = "Conformational analysis of the three possible geometrical isomers: trans(O5), trans(O5O6) and trans(O6) of the sexidentate [Rh(1,3-pddadp)]- complex, and of the 10 possible isomers: four cis-equatorial, four cis-polar and two trans-equatorial of the quinquedentate [Rh(1,3-pddadp)Cl]2- complex was performed using the consistent force field (CFF) method, with the parameters developed previously for edta-type complexes of chromium(III) and supplemented with new parameters for rhodium(III). The force field is of maximally diagonal type. The energy-minimized structure of the cis-polar,trans(Cl,O5) isomer, having the same absolute configuration at the nitrogen atoms and 5-6-6 ring system in the G plane, represents the global minimum for the quinquedentate [Rh(1,3-pddadp)Cl]2- species. In the case of sexidentate [Rh(1,3-pddadp)]- complex the lowest energy conformer corresponds to the trans(O5O6) configuration. CFF calculations reproduced very well all crystallographically characterized structures: trans(O5)-[Rh(1,3-pddadp)]-, trans(O5O6)-[Rh(1,3-pddadp)]- and cis-polar,trans(Cl,O5)-[Rh(1,3-pddadp)Cl]2-. Comparison of the present molecular mechanics results with those for the analogous complexes revealed some general patterns for the conformational preferences of edta-type complexes. © 2006 Elsevier B.V. All rights reserved.",
journal = "Journal of Molecular Structure",
title = "Conformational analysis of edta-type rhodium(III) complexes with mixed five- and six-membered chelate rings. Structural analysis of conformational flexibility in rhodium(III) complexes containing 1,3-propanediamine-N,N′-diacetate-N,N′-di-3-propionate liga",
volume = "794",
number = "1-3",
pages = "125-132",
doi = "10.1016/j.molstruc.2006.01.044"
}

Grubišić, S., Milčić, M. K., Radanović, D. D.,& Niketić, S.R.. (2006). Conformational analysis of edta-type rhodium(III) complexes with mixed five- and six-membered chelate rings. Structural analysis of conformational flexibility in rhodium(III) complexes containing 1,3-propanediamine-N,N′-diacetate-N,N′-di-3-propionate liga. in Journal of Molecular Structure, 794(1-3), 125-132.
https://doi.org/10.1016/j.molstruc.2006.01.044

Grubišić S, Milčić MK, Radanović DD, Niketić S. Conformational analysis of edta-type rhodium(III) complexes with mixed five- and six-membered chelate rings. Structural analysis of conformational flexibility in rhodium(III) complexes containing 1,3-propanediamine-N,N′-diacetate-N,N′-di-3-propionate liga. in Journal of Molecular Structure. 2006;794(1-3):125-132.
doi:10.1016/j.molstruc.2006.01.044 .

Grubišić, Sonja, Milčić, Miloš K., Radanović, Dušanka D., Niketić, S.R., "Conformational analysis of edta-type rhodium(III) complexes with mixed five- and six-membered chelate rings. Structural analysis of conformational flexibility in rhodium(III) complexes containing 1,3-propanediamine-N,N′-diacetate-N,N′-di-3-propionate liga" in Journal of Molecular Structure, 794, no. 1-3 (2006):125-132,
https://doi.org/10.1016/j.molstruc.2006.01.044 . .

TY  - JOUR
AU  - Zarić, Snežana D.
AU  - Niketić, S.R.
PY  - 1991
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/56
AB  - Ligand field analysis of [Co(ox)3]3- has been performed using the angular overlap model (AOM) approach. The metal-oxygen interactions were treated as locally anisotropic. Experimental spectra were well reproduced by the calculations in which the Trees' correction was included. The effect of geometrical distortions on the calculated energies of ligand field states has been investigated. © 1991.
T2  - Polyhedron
T1  - Ligand field analysis of metal-oxygen interactions-I. Tris(oxalato)cobaltate(III)
VL  - 10
IS  - 23-24
SP  - 2665
EP  - 2672
DO  - 10.1016/S0277-5387(00)86165-3
ER  - 

@article{
author = "Zarić, Snežana D. and Niketić, S.R.",
year = "1991",
abstract = "Ligand field analysis of [Co(ox)3]3- has been performed using the angular overlap model (AOM) approach. The metal-oxygen interactions were treated as locally anisotropic. Experimental spectra were well reproduced by the calculations in which the Trees' correction was included. The effect of geometrical distortions on the calculated energies of ligand field states has been investigated. © 1991.",
journal = "Polyhedron",
title = "Ligand field analysis of metal-oxygen interactions-I. Tris(oxalato)cobaltate(III)",
volume = "10",
number = "23-24",
pages = "2665-2672",
doi = "10.1016/S0277-5387(00)86165-3"
}

Zarić, S. D.,& Niketić, S.R.. (1991). Ligand field analysis of metal-oxygen interactions-I. Tris(oxalato)cobaltate(III). in Polyhedron, 10(23-24), 2665-2672.
https://doi.org/10.1016/S0277-5387(00)86165-3

Zarić SD, Niketić S. Ligand field analysis of metal-oxygen interactions-I. Tris(oxalato)cobaltate(III). in Polyhedron. 1991;10(23-24):2665-2672.
doi:10.1016/S0277-5387(00)86165-3 .

Zarić, Snežana D., Niketić, S.R., "Ligand field analysis of metal-oxygen interactions-I. Tris(oxalato)cobaltate(III)" in Polyhedron, 10, no. 23-24 (1991):2665-2672,
https://doi.org/10.1016/S0277-5387(00)86165-3 . .

TY  - JOUR
AU  - Zarić, Snežana D.
AU  - Niketić, S.R.
PY  - 1991
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/57
AB  - Ligand field analysis of [Cr(ox)3]3- has been performed using the angular overlap model (AOM) approach. The metal-oxygen interactions were treated as locally anisotropic. The Trees' correction and the explicit treatment of the second coordination sphere were included. A set of parameters was derived which reproduces both the quartet bands and sharp doublet lines. Relationships between structural and spectral data were investigated. © 1991.
T2  - Polyhedron
T1  - Ligand field analysis of metal-oxygen interactions-II. Tris(oxalato)chromate(III)
VL  - 10
IS  - 23-24
SP  - 2673
EP  - 2681
DO  - 10.1016/S0277-5387(00)86166-5
ER  - 

@article{
author = "Zarić, Snežana D. and Niketić, S.R.",
year = "1991",
abstract = "Ligand field analysis of [Cr(ox)3]3- has been performed using the angular overlap model (AOM) approach. The metal-oxygen interactions were treated as locally anisotropic. The Trees' correction and the explicit treatment of the second coordination sphere were included. A set of parameters was derived which reproduces both the quartet bands and sharp doublet lines. Relationships between structural and spectral data were investigated. © 1991.",
journal = "Polyhedron",
title = "Ligand field analysis of metal-oxygen interactions-II. Tris(oxalato)chromate(III)",
volume = "10",
number = "23-24",
pages = "2673-2681",
doi = "10.1016/S0277-5387(00)86166-5"
}

Zarić, S. D.,& Niketić, S.R.. (1991). Ligand field analysis of metal-oxygen interactions-II. Tris(oxalato)chromate(III). in Polyhedron, 10(23-24), 2673-2681.
https://doi.org/10.1016/S0277-5387(00)86166-5

Zarić SD, Niketić S. Ligand field analysis of metal-oxygen interactions-II. Tris(oxalato)chromate(III). in Polyhedron. 1991;10(23-24):2673-2681.
doi:10.1016/S0277-5387(00)86166-5 .

Zarić, Snežana D., Niketić, S.R., "Ligand field analysis of metal-oxygen interactions-II. Tris(oxalato)chromate(III)" in Polyhedron, 10, no. 23-24 (1991):2673-2681,
https://doi.org/10.1016/S0277-5387(00)86166-5 . .